| Formula |
C12H19N3O7S |
| IUPAC Name |
(2s)-5-[[(1r)-1-(acetylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid |
| Molecular Mass |
349.360 g·mol−1 |
| Heat of Formation |
-1305.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.53 ± 1.08 D |
| Volume |
398.56 Å 3 |
| Surface Area |
357.59 Å 2 |
| HOMO Energy |
-9.41 ± 0.55 eV |
| LUMO Energy |
-0.75 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-ethanoylsulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
- (2s)-5-[[(1r)-1-(acetylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid
- (2s)-5-[[(1r)-1-[(acetylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid
- (2s)-5-[[(1r)-1-[(acetylthio)methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-2-amino-5-oxopentanoic acid
|
| InChIKey |
FVRWSIPJNWXCEO-YUMQZZPRSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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